1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene

C141H216ClF8NO17S7 — CID 159569298

IUPAC1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene
SMILESCC(C)(C)S(=O)(=O)CC1CCC(CCc2c(F)cc(F)cc2F)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(Cl)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(OC(F)(F)F)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(F)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccccc2F)CC1.COc1ccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.C[C@@H]1CN(c2ccc(CCC3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2)C[C@H](C)O1
InChIInChI=1S/C25H41NO3S.C20H29F3O3S.C20H32O3S.C19H29ClO2S.C19H27F3O2S.2C19H29FO2S/c1-19-16-26(17-20(2)29-19)24-14-12-22(13-15-24)7-6-21-8-10-23(11-9-21)18-30(27,28)25(3,4)5;1-19(2,3)27(24,25)14-17-8-6-15(7-9-17)4-5-16-10-12-18(13-11-16)26-20(21,22)23;1-20(2,3)24(21,22)15-18-9-7-16(8-10-18)5-6-17-11-13-19(23-4)14-12-17;1-19(2,3)23(21,22)14-17-8-6-15(7-9-17)4-5-16-10-12-18(20)13-11-16;1-19(2,3)25(23,24)12-14-6-4-13(5-7-14)8-9-16-17(21)10-15(20)11-18(16)22;1-19(2,3)23(21,22)14-17-11-8-15(9-12-17)7-10-16-5-4-6-18(20)13-16;1-19(2,3)23(21,22)14-16-10-8-15(9-11-16)12-13-17-6-4-5-7-18(17)20/h12-15,19-21,23H,6-11,16-18H2,1-5H3;10-13,15,17H,4-9,14H2,1-3H3;11-14,16,18H,5-10,15H2,1-4H3;10-13,15,17H,4-9,14H2,1-3H3;10-11,13-14H,4-9,12H2,1-3H3;4-6,13,15,17H,7-12,14H2,1-3H3;4-7,15-16H,8-14H2,1-3H3/t19-,20+,21?,23?;;;;;;
InChIKeyMHPMOVDXRZMLKY-GZLAEINASA-N
MW2609.17 g/mol
LogP35.34
Rot. Bonds38

About 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene

1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene (PubChem CID 159569298) has the molecular formula C141H216ClF8NO17S7 and a molecular weight of 2609.17 g/mol. Its IUPAC name is 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene
PubChem CID159569298
Molecular FormulaC141H216ClF8NO17S7
Molecular Weight2609.17 g/mol
Exact Mass2606.37
IUPAC Name1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene
SMILESCC(C)(C)S(=O)(=O)CC1CCC(CCc2c(F)cc(F)cc2F)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(Cl)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(OC(F)(F)F)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(F)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccccc2F)CC1.COc1ccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.C[C@@H]1CN(c2ccc(CCC3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2)C[C@H](C)O1
InChIInChI=1S/C25H41NO3S.C20H29F3O3S.C20H32O3S.C19H29ClO2S.C19H27F3O2S.2C19H29FO2S/c1-19-16-26(17-20(2)29-19)24-14-12-22(13-15-24)7-6-21-8-10-23(11-9-21)18-30(27,28)25(3,4)5;1-19(2,3)27(24,25)14-17-8-6-15(7-9-17)4-5-16-10-12-18(13-11-16)26-20(21,22)23;1-20(2,3)24(21,22)15-18-9-7-16(8-10-18)5-6-17-11-13-19(23-4)14-12-17;1-19(2,3)23(21,22)14-17-8-6-15(7-9-17)4-5-16-10-12-18(20)13-11-16;1-19(2,3)25(23,24)12-14-6-4-13(5-7-14)8-9-16-17(21)10-15(20)11-18(16)22;1-19(2,3)23(21,22)14-17-11-8-15(9-12-17)7-10-16-5-4-6-18(20)13-16;1-19(2,3)23(21,22)14-16-10-8-15(9-11-16)12-13-17-6-4-5-7-18(17)20/h12-15,19-21,23H,6-11,16-18H2,1-5H3;10-13,15,17H,4-9,14H2,1-3H3;11-14,16,18H,5-10,15H2,1-4H3;10-13,15,17H,4-9,14H2,1-3H3;10-11,13-14H,4-9,12H2,1-3H3;4-6,13,15,17H,7-12,14H2,1-3H3;4-7,15-16H,8-14H2,1-3H3/t19-,20+,21?,23?;;;;;;
InChIKeyMHPMOVDXRZMLKY-GZLAEINASA-N
XLogP35.34
TPSA269.91 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds38
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002609.17
LogP ≤ 535.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene (CID 159569298) is 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene is CC(C)(C)S(=O)(=O)CC1CCC(CCc2c(F)cc(F)cc2F)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(Cl)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccc(OC(F)(F)F)cc2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2cccc(F)c2)CC1.CC(C)(C)S(=O)(=O)CC1CCC(CCc2ccccc2F)CC1.COc1ccc(CCC2CCC(CS(=O)(=O)C(C)(C)C)CC2)cc1.C[C@@H]1CN(c2ccc(CCC3CCC(CS(=O)(=O)C(C)(C)C)CC3)cc2)C[C@H](C)O1.
What is the InChIKey of 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene?
The InChIKey is MHPMOVDXRZMLKY-GZLAEINASA-N. The full InChI is InChI=1S/C25H41NO3S.C20H29F3O3S.C20H32O3S.C19H29ClO2S.C19H27F3O2S.2C19H29FO2S/c1-19-16-26(17-20(2)29-19)24-14-12-22(13-15-24)7-6-21-8-10-23(11-9-21)18-30(27,28)25(3,4)5;1-19(2,3)27(24,25)14-17-8-6-15(7-9-17)4-5-16-10-12-18(13-11-16)26-20(21,22)23;1-20(2,3)24(21,22)15-18-9-7-16(8-10-18)5-6-17-11-13-19(23-4)14-12-17;1-19(2,3)23(21,22)14-17-8-6-15(7-9-17)4-5-16-10-12-18(20)13-11-16;1-19(2,3)25(23,24)12-14-6-4-13(5-7-14)8-9-16-17(21)10-15(20)11-18(16)22;1-19(2,3)23(21,22)14-17-11-8-15(9-12-17)7-10-16-5-4-6-18(20)13-16;1-19(2,3)23(21,22)14-16-10-8-15(9-11-16)12-13-17-6-4-5-7-18(17)20/h12-15,19-21,23H,6-11,16-18H2,1-5H3;10-13,15,17H,4-9,14H2,1-3H3;11-14,16,18H,5-10,15H2,1-4H3;10-13,15,17H,4-9,14H2,1-3H3;10-11,13-14H,4-9,12H2,1-3H3;4-6,13,15,17H,7-12,14H2,1-3H3;4-7,15-16H,8-14H2,1-3H3/t19-,20+,21?,23?;;;;;;.
What are the key properties of 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene?
1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene has a molecular weight of 2609.17 g/mol, XLogP of 35.34, 38 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-chlorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-2-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-3-fluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-methoxybenzene;(2S,6R)-4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]-2,6-dimethylmorpholine;2-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-1,3,5-trifluorobenzene;1-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 159569298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).